N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

C17H16BrF3N4O — CID 175650470

IUPACN-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C17H16BrF3N4O/c18-12-8-14(17(19,20)21)15(23-10-12)25-6-3-13(4-7-25)24-16(26)11-2-1-5-22-9-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,24,26)
InChIKeyNCAVTMIKYQWUQO-UHFFFAOYSA-N
MW429.24 g/mol
LogP3.66
Rot. Bonds3

About N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175650470) has the molecular formula C17H16BrF3N4O and a molecular weight of 429.24 g/mol. Its IUPAC name is N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID175650470
Molecular FormulaC17H16BrF3N4O
Molecular Weight429.24 g/mol
Exact Mass428.05
IUPAC NameN-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C17H16BrF3N4O/c18-12-8-14(17(19,20)21)15(23-10-12)25-6-3-13(4-7-25)24-16(26)11-2-1-5-22-9-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,24,26)
InChIKeyNCAVTMIKYQWUQO-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
CID 171994103
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649792
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (CID 175650470) is N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)c1cccnc1.
What is the InChIKey of N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is NCAVTMIKYQWUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N4O/c18-12-8-14(17(19,20)21)15(23-10-12)25-6-3-13(4-7-25)24-16(26)11-2-1-5-22-9-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,24,26).
What are the key properties of N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 429.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175650470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).